tert-butyl 6-azanyl-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate

Systemtic Name: tert-butyl 6-azanyl-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate Openeye Name: tert-butyl 6-amino-5-cyano-2-methyl-4-(2-thienyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-methyl-4-(2-thienyl)-4H-pyran-3-carboxylic acid tert-butyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC=CS2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC=CS2)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H18N2O3S/c1-9-12(15(19)21-16(2,3)4)13(11-6-5-7-22-11)10(8-17)14(18)20-9/h5-7,13H,18H2,1-4H3